5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine

C14H10ClF2N3S — CID 43659409

IUPAC5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccccc1SC(F)F
InChIInChI=1S/C14H10ClF2N3S/c15-8-5-6-10-9(7-8)19-14(18)20(10)11-3-1-2-4-12(11)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyNEXCXWFWWSXEOP-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.58
Rot. Bonds3

About 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine

5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine (PubChem CID 43659409) has the molecular formula C14H10ClF2N3S and a molecular weight of 325.77 g/mol. Its IUPAC name is 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
PubChem CID43659409
Molecular FormulaC14H10ClF2N3S
Molecular Weight325.77 g/mol
Exact Mass325.03
IUPAC Name5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccccc1SC(F)F
InChIInChI=1S/C14H10ClF2N3S/c15-8-5-6-10-9(7-8)19-14(18)20(10)11-3-1-2-4-12(11)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyNEXCXWFWWSXEOP-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
CID 43659401
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
6-chloro-3-[2-(difluoromethylsulfanyl)phenyl]-1H-benzimidazole-2-thione
CID 43659426
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine (CID 43659409) is 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1-c1ccccc1SC(F)F.
What is the InChIKey of 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine?
The InChIKey is NEXCXWFWWSXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3S/c15-8-5-6-10-9(7-8)19-14(18)20(10)11-3-1-2-4-12(11)21-13(16)17/h1-7,13H,(H2,18,19).
What are the key properties of 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine?
5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine has a molecular weight of 325.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 43659409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).